Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f8343b6eda1c3608ff6c302dd5c03c13",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 50.875,
"b": 81.904,
"c": 109.320,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.120,1.730],
"number_observations": 402596,
"number_observations_unique": 48556,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.730],
"number_observations": 22293,
"number_observations_unique": 2637,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.854
},
{
"type": "R(meas)",
"value": 1.973
},
{
"type": "R(pim)",
"value": 0.670
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.773
}
]
},
{
"resolution_limits": [46.120,8.990],
"number_observations": 2961,
"number_observations_unique": 417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}